Phenelfamycin C
[CAS# 118498-93-4]

Identification

• Name: Phenelfamycin C
• Synonyms: (2E,4E,6E)-7-[5-[(3E,5E)-7-[[2-[2,4-Dihydroxy-5,5-Dimethyl-6-[(1E,3E)-Penta-1,3-Dienyl]-3-(2-Phenylacetyl)Oxy-Tetrahydropyran-2-Yl]-3-[5-(5-Hydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Propanoyl]Amino]-2-Methoxy-1,3-Dimethyl-Hepta-3,5-Dienyl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Hepta-2,4,6-Trienoic Acid; (2E,4E,6E)-7-[5-[(3E,5E)-7-[[2-[2,4-Dihydroxy-5,5-Dimethyl-3-(1-Oxo-2-Phenylethoxy)-6-[(1E,3E)-Penta-1,3-Dienyl]-2-Tetrahydropyranyl]-3-[[5-[(5-Hydroxy-4-Methoxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-4-Methoxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-1-Oxopropyl]Amino]-2-Methoxy-1,3-Dimethylhepta-3,5-Dienyl]-3-Hydroxy-2-Tetrahydrofuranyl]Hepta-2,4,6-Trienoic Acid; (2E,4E,6E)-7-[5-[(4E,6E)-8-[[2-[2,4-Dihydroxy-5,5-Dimethyl-6-[(1E,3E)-Penta-1,3-Dienyl]-3-(2-Phenylethanoyloxy)Oxan-2-Yl]-3-[5-(5-Hydroxy-4-Methoxy-6-Methyl-Oxan-2-Yl)Oxy-4-Methoxy-6-Methyl-Oxan-2-Yl]Oxy-Propanoyl]Amino]-3-Methoxy-4-Methyl-Octa-4,6-Dien-2-Yl]-3-Hydroxy-Oxolan-2-Yl]Hepta-2,4,6-Trienoic Acid
• Molecular Formula: C₅₈H₈₃NO₁₈
• Molecular Weight: 1082.29
• CAS Registry Number: 118498-93-4
• SMILES: C5=C(CC(OC1C(O)C(C(OC1(C(COC3CC(C(OC2CC(C(C(O2)C)O)OC)C(O3)C)OC)C(=O)NC\C=C\C=C(C(OC)C(C)C4OC(C(C4)O)\C=C\C=C\C=C\C(O)=O)/C)O)\C=C\C=C\C)(C)C)=O)C=CC=C5
• InChI: 1S/C58H83NO18/c1-11-12-16-27-46-57(6,7)54(65)55(75-48(63)30-39-24-17-15-18-25-39)58(67,77-46)40(34-71-49-33-45(69-9)53(38(5)73-49)76-50-32-44(68-8)51(64)37(4)72-50)56(66)59-29-22-21-23-35(2)52(70-10)36(3)43-31-41(60)42(74-43)26-19-13-14-20-28-47(61)62/h11-28,36-38,40-46,49-55,60,64-65,67H,29-34H2,1-10H3,(H,59,66)(H,61,62)/b12-11+,14-13+,22-21+,26-19+,27-16+,28-20+,35-23+
• InChIKey: CFQHTKGGWFGEKG-WYJATRNTSA-N